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493473

Sigma-Aldrich

3-Phenoxypropionitrile

98%

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About This Item

Linear Formula:
C6H5OCH2CH2CN
CAS Number:
3055-86-5
Molecular Weight:
147.17
EC Number:
221-278-1
MDL number:
MFCD00013822
UNSPSC Code:
12352100
PubChem Substance ID:
24872836
NACRES:
NA.22

Assay

98%

mp

58-61 °C (lit.)

SMILES string

N#CCCOc1ccccc1

InChI

1S/C9H9NO/c10-7-4-8-11-9-5-2-1-3-6-9/h1-3,5-6H,4,8H2

InChI key

IXAUFLAHUXISCH-UHFFFAOYSA-N

General description

3-Phenoxypropionitrile is an aryl nitrile that can be synthesized by the reaction of acrylonitrile with phenol, catalyzed by (IPr)Cu(OPh) (IPr=1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene; Ph=phenyl).[1]

Application

3-Phenoxypropionitrile may be used as a starting material in the synthesis of a phenol novolak-type polymer.[2]

Pictograms

Exclamation mark
GHS07

Signal Word

Warning

Hazard Statements

H302 + H312 + H332

Hazard Classifications

Acute Tox. 4 Dermal - Acute Tox. 4 Inhalation - Acute Tox. 4 Oral

Storage Class Code

10 - Combustible liquids

WGK

WGK 3

Flash Point(F)

Not applicable

Flash Point(C)

Not applicable

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Regulatory Listings

Regulatory Listings are mainly provided for chemical products. Only limited information can be provided here for non-chemical products. No entry means none of the components are listed. It is the user’s obligation to ensure the safe and legal use of the product.

PDSCL

Deleterious substance

JAN Code

493473-BULK:
493473-VAR:
493473-10G:4548173162270

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Certificates of Analysis (COA)

Lot/Batch Number
02820DS

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Formaldehyde polymers, 28. Synthesis of a high molecular weight novolak-type Polymer.
Ninagawa A and Matsuda H.
Makromol. Chem., Rapid Commun., 2(6-7), 449-452 (1981)
Anti-Markovnikov NH and OH additions to electron-deficient olefins catalyzed by well-defined Cu (I) anilido, ethoxide, and phenoxide systems.
Munro-Leighton C, et al.
Journal of the American Chemical Society, 128(5), 1446-1447 (2006)
Yusuke Yamamoto et al.
The Journal of toxicological sciences, 44(9), 585-600 (2019-09-03)
Amino acid derivative reactivity assay (ADRA) has previously been developed as an alternative method to direct peptide reactivity assay (DPRA) to evaluate key event 1 in skin sensitization mechanisms. However, when using alternative methods for skin sensitization, integrated approaches to

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